Brief Information of the Compound and Protein
Compound Name
N-[(3R,4R)-1-[6-[(3-ethyl-1-methylpyrazol-4-yl)amino]-9-propan-2-ylpurin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide
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PubChem ID
CID: 118073642
Canonical SMILES
CCc1nn(C)cc1Nc1nc(nc2n(cnc12)C(C)C)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C
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Compound Formula C21H28FN9O
Compound Structure
Protein Name
Epidermal growth factor receptor
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase EGFR family
Uniprot ID
P00533
Gene Name
EGFR
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 649 nM
   TI
   LI
   LO
   TS
CL000157 NCI-H1975 Homo sapiens (Human)  1
1
IC50 = 7 nM
   TI
   LI
   LO
   TS
CL000923 PC9-DRH Homo sapiens (Human)  1
1
IC50 = 3 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 19 nM